UCSF

ZINC71174733

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 1.14 -41.83 0 5 -1 75 245.258 2
Mid Mid (pH 6-8) 1.65 3.79 -7.2 1 5 0 72 246.266 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )